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Substance Name: Quinolinium, 2-(2-((3-hydroxypropyl)amino)-2-(methylthio)vinyl)-1-methyl-, iodide
RN: 104664-34-8
InChIKey: YVSFFXWATPKOAF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N2-O-S.I

Molecular Weight

  • 416.3209
 
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Names and Synonyms

Synonym

  • 2-(2-((3-Hydroxypropyl)amino)-2-(methylthio)vinyl)-1-methylquinolinium iodide

Systematic Name

  • Quinolinium, 2-(2-((3-hydroxypropyl)amino)-2-(methylthio)vinyl)-1-methyl-, iodide

Registry Numbers

CAS Registry Number

  • 104664-34-8

System Generated Number

  • 0104664348

Molecular Formulas

Molecular Formula

  • C16-H21-N2-O-S.I

Molecular Formula Fragments

  • C16-H21-N2-O-S
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C16H20N2OS.HI/c1-18-14(12-16(20-2)17-10-5-11-19)9-8-13-6-3-4-7-15(13)18;/h3-4,6-9,12,19H,5,10-11H2,1-2H3;1H

InChIKey

YVSFFXWATPKOAF-UHFFFAOYSA-N

Smiles

C[n+]1c(ccc2c1cccc2)/C=C(\NCCCO)/SC.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 57, 1987.